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Exploring the influence of organic species on pre- and post-nucleation calcium carbonate
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Raiteri, Paolo, Demichelis, Raffaella, Gale, Julian D., Kellermeier, Matthias, Gebauer, Denis, Quigley, David, Wright, Louise B. and Walsh, Tiffany R. (2012) Exploring the influence of organic species on pre- and post-nucleation calcium carbonate. Faraday Discussions, Vol.159 . pp. 61-85. doi:10.1039/c2fd20052j ISSN 0301-7249.
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Official URL: http://dx.doi.org/10.1039/c2fd20052j
Abstract
Organic additives are well known to influence the nucleation and growth of minerals. A combination of experimental and theoretical methods has been used to probe how three simple additives, containing varying numbers of carboxylate groups, influence the early stages of the growth of calcium carbonate. Computationally, the free energy landscape has been examined for each additive binding to Ca 2+, the calcium carbonate ion pair, the surface of an amorphous calcium carbonate nanoparticle, and the basal plane of calcite. The different influence of the three organic ligands on the early stages of growth of calcium carbonate observed experimentally can be rationalised in terms of the degree of association of each anion with the species present prior to, and immediately after nucleation. © The Royal Society of Chemistry 2012
Item Type: | Journal Article | ||||
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Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry Faculty of Science, Engineering and Medicine > Science > Physics |
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Journal or Publication Title: | Faraday Discussions | ||||
Publisher: | Royal Society of Chemistry | ||||
ISSN: | 0301-7249 | ||||
Official Date: | 2012 | ||||
Dates: |
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Volume: | Vol.159 | ||||
Page Range: | pp. 61-85 | ||||
DOI: | 10.1039/c2fd20052j | ||||
Status: | Peer Reviewed | ||||
Publication Status: | Published | ||||
Access rights to Published version: | Restricted or Subscription Access |
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